2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide

C12H17N3O3 — CID 104765747

IUPAC2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cccnc2N)CCOC1
InChIInChI=1S/C12H17N3O3/c1-17-12(4-6-18-8-12)7-15-11(16)9-3-2-5-14-10(9)13/h2-3,5H,4,6-8H2,1H3,(H2,13,14)(H,15,16)
InChIKeyBRGWOIPBOXGZQU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 104765747) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
PubChem CID104765747
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cccnc2N)CCOC1
InChIInChI=1S/C12H17N3O3/c1-17-12(4-6-18-8-12)7-15-11(16)9-3-2-5-14-10(9)13/h2-3,5H,4,6-8H2,1H3,(H2,13,14)(H,15,16)
InChIKeyBRGWOIPBOXGZQU-UHFFFAOYSA-N
XLogP0.20
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765708
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104758395
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113450755
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide (CID 104765747) is 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide is COC1(CNC(=O)c2cccnc2N)CCOC1.
What is the InChIKey of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is BRGWOIPBOXGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12(4-6-18-8-12)7-15-11(16)9-3-2-5-14-10(9)13/h2-3,5H,4,6-8H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 104765747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).